CID 2760886

675602-85-4

Structural Information

Molecular Formula
C25H22N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4CCC(=O)O
InChI
InChI=1S/C25H22N2O2/c28-24(29)17-16-23-26-18-19-27(23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,29)
InChIKey
RVUHFAQCWRGTJH-UHFFFAOYSA-N
Compound name
3-(1-tritylimidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

382.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.175396 193.0
[M+Na]+ 405.157338 197.5
[M-H]- 381.160844 201.2
[M+NH4]+ 400.201943 201.3
[M+K]+ 421.131278 190.6
[M+H-H2O]+ 365.165380 181.6
[M+HCOO]- 427.166321 210.4
[M+CH3COO]- 441.181971 201.3
[M+Na-2H]- 403.142786 195.7
[M]+ 382.16757142 191.5
[M]- 382.16866858 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe